Recherche
Résultats 21-30 de 69
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Exploring luminescence properties of uranyl-based complexes by TRLFS and ab initio method
11th international conference on f elements, Strasbourg, 22-08-2023, 22-08-2023 -
Effect of inorganic ligands on Pa<sup>5+</sup> and PaO<sup>3+</sup> relative stabilities: A computational study
11th international conference on f elements, Strasbourg, 22-08-2023, 22-08-2023 -
Elucidating the gas phase adsorption of CH<sub>3</sub>I on sea-salt aerosol using computational chemistry
Canadian Chemistry Conference and Exhibition (CSC 2023), Vancouver, 04-06-2023 -
The electronic structure of actinides tailored by relativistic quantum chemistry approaches: applications to X-ray spectroscopies
European Conference on Computational and Theoretical Chemistry (CompChem 2023), Thessaloniki, 27-08-2023, 27-08-2023 -
Exploring excited state potential energy profile and luminescence properties of f-element complexes by TRLFS and ab initio method
Journées plénières 2022 du GDR EMIE, Dunkerque, 14-06-2022, 14-06-2022 -
Exploration of the Core Valence Separation approximation to obtain the ionization potentials of the core electrons by the EOM-CCSD method according to a 4-component relativistic approach
Première réunion générale du GDR NBODY : Problème Quantique à N Corps en Chimie et Physique, Lille, 08-01-2020, 08-01-2020Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Development of Theoretical Tools for Modeling Core and Valence Spectroscopies and their Applications to Species of Atmospheric Interest
JTMS 2020 : Journées "Théorie, Modélisation et Simulation", Visioconférence, 02-11-2020, 02-11-2020Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Environmental Effects with Frozen-Density Embedding in the Real-Time Time-Dependent Dirac-Kohn-Sham framework
REHE – 2020/2022 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Assisi, 26-09-2022, 26-09-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
The hydration of polycyclic aromatic compounds: the case of α-naphthaldehyde
27th Colloquium on High-Resolution Molecular Spectroscopy (HRMS Cologne 2021), Cologne, 29-08-2021, 29-08-2021 -
MD Investigation of the organic/inorganic ions selectivity at the air-liquid interface
SolvATE2020: Scientific Meeting of the GdR SolvATE, Online, 25-11-2020, 25-11-2020